SIR97: a new tool for crystal structure determination and refinement

SIR97 is the integration of two programs, SIR92 and CAOS, the first devoted to the solution of crystal structures by direct methods, the second to refinement via least‐squares–Fourier procedures. Several new features have been introduced in SIR97 with respect to the previous version, SIR92: greater...

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Veröffentlicht in:	Journal of applied crystallography 1999-02, Vol.32 (1), p.115-119
Hauptverfasser:	Altomare, Angela, Burla, Maria Cristina, Camalli, Mercedes, Cascarano, Giovanni Luca, Giacovazzo, Carmelo, Guagliardi, Antonietta, Moliterni, Anna Grazia Giuseppina, Polidori, Giampiero, Spagna, Riccardo
Format:	Artikel
Sprache:	eng
Schlagworte:	Condensed matter: structure, mechanical and thermal properties Exact sciences and technology Physics Single-crystal and powder diffraction Structure of solids and liquids crystallography X-ray diffraction and scattering
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Beschreibung
Zusammenfassung:	SIR97 is the integration of two programs, SIR92 and CAOS, the first devoted to the solution of crystal structures by direct methods, the second to refinement via least‐squares–Fourier procedures. Several new features have been introduced in SIR97 with respect to the previous version, SIR92: greater automatization, increased efficiency of the direct methods section, and a powerful graphics interface. The program also provides publication tables and CIF files.
ISSN:	1600-5767 0021-8898 1600-5767
DOI:	10.1107/S0021889898007717